[4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

C19H25N3OS — CID 18173956

IUPAC[4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC(Nc2ccc(CCN)cc2)CC1
InChIInChI=1S/C19H25N3OS/c1-14-9-13-24-18(14)19(23)22-11-7-17(8-12-22)21-16-4-2-15(3-5-16)6-10-20/h2-5,9,13,17,21H,6-8,10-12,20H2,1H3
InChIKeyZUGMUKCBBYWRFZ-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.27
Rot. Bonds5

About [4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

[4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 18173956) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is [4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID18173956
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name[4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC(Nc2ccc(CCN)cc2)CC1
InChIInChI=1S/C19H25N3OS/c1-14-9-13-24-18(14)19(23)22-11-7-17(8-12-22)21-16-4-2-15(3-5-16)6-10-20/h2-5,9,13,17,21H,6-8,10-12,20H2,1H3
InChIKeyZUGMUKCBBYWRFZ-UHFFFAOYSA-N
XLogP3.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
4-[2-hydroxy-3-[2-[4-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]amino]phenyl]ethylamino]propoxy]-1,3-dihydrobenzimidazol-2-one
CID 70034019
4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 18173951
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 31594710
4-[4-(2-aminoethyl)anilino]-N-[3-(4-methylphenyl)-3-oxopropyl]piperidine-1-carboxamide
CID 18173612
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 17395338

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 18173956) is [4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCC(Nc2ccc(CCN)cc2)CC1.
What is the InChIKey of [4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is ZUGMUKCBBYWRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14-9-13-24-18(14)19(23)22-11-7-17(8-12-22)21-16-4-2-15(3-5-16)6-10-20/h2-5,9,13,17,21H,6-8,10-12,20H2,1H3.
What are the key properties of [4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 343.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 18173956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).